2-Benzyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine;hydrobromide

C25H22BrN — CID 21511016

IUPAC2-benzyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine;hydrobromide
SMILESC1C=C2C(=C(C3=CC=CC=C23)C4=CC=CC=C4)CN1CC5=CC=CC=C5.Br
InChIInChI=1S/C25H21N.BrH/c1-3-9-19(10-4-1)17-26-16-15-22-21-13-7-8-14-23(21)25(24(22)18-26)20-11-5-2-6-12-20;/h1-15H,16-18H2;1H
InChIKeyVQILBAOKFWGFNU-UHFFFAOYSA-N
MW416.40 g/mol
LogP—
Rot. Bonds3

About 2-Benzyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine;hydrobromide

2-Benzyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine;hydrobromide (PubChem CID 21511016) has the molecular formula C25H22BrN and a molecular weight of 416.40 g/mol. Its IUPAC name is 2-benzyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine;hydrobromide.

Molecular Properties

Compound Name2-Benzyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine;hydrobromide
PubChem CID21511016
Molecular FormulaC25H22BrN
Molecular Weight416.40 g/mol
Exact Mass415.09
IUPAC Name2-benzyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine;hydrobromide
SMILESC1C=C2C(=C(C3=CC=CC=C23)C4=CC=CC=C4)CN1CC5=CC=CC=C5.Br
InChIInChI=1S/C25H21N.BrH/c1-3-9-19(10-4-1)17-26-16-15-22-21-13-7-8-14-23(21)25(24(22)18-26)20-11-5-2-6-12-20;/h1-15H,16-18H2;1H
InChIKeyVQILBAOKFWGFNU-UHFFFAOYSA-N
XLogP—
TPSA3.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity559

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-Benzyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine;hydrobromide?
The IUPAC name of 2-Benzyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine;hydrobromide (CID 21511016) is 2-benzyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine;hydrobromide.
What is the SMILES notation for 2-Benzyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine;hydrobromide?
The canonical SMILES for 2-Benzyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine;hydrobromide is C1C=C2C(=C(C3=CC=CC=C23)C4=CC=CC=C4)CN1CC5=CC=CC=C5.Br.
What is the InChIKey of 2-Benzyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine;hydrobromide?
The InChIKey is VQILBAOKFWGFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N.BrH/c1-3-9-19(10-4-1)17-26-16-15-22-21-13-7-8-14-23(21)25(24(22)18-26)20-11-5-2-6-12-20;/h1-15H,16-18H2;1H.
What are the key properties of 2-Benzyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine;hydrobromide?
2-Benzyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine;hydrobromide has a molecular weight of 416.40 g/mol, XLogP of not available, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Benzyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine;hydrobromide is sourced from PubChem (CID 21511016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).